HRID281083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID81643

2-Propyn-1-amine, N,N-dimethyl-

C5H9N

结构：O=C1c2c(Cl)cc(Br)cc2CN1Cc1ccc(Oc2ccccc2)cc1

HCID57949670

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC#Cc1cc(Cl)c2c(c1)CN(Cc1ccc(Oc3ccccc3)cc1)C2=O

HCID57949318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-667725d768de4ba8ab0efd4505181cd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:7][c:8]1[cH:9][c:10]2[c:14]([c:15]([Cl:17])[cH:16]1)[C:13](=[O:18])[N:12]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:24][cH:25]1)[CH2:11]2.[CH3:1][N:2]([CH2:3][C:4]#[CH:5])[CH3:6].[CH:33]([NH:34][CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cu:81][I:82].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[CH3:1][N:2]([CH2:3][C:4]#[C:5][c:8]1[cH:9][c:10]2[c:14]([c:15]([Cl:17])[cH:16]1)[C:13](=[O:18])[N:12]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:24][cH:25]1)[CH2:11]2)[CH3:6]